Spektraris NMR
ent-7a,16b,17-Trihydroxykarrrane
Common Name: ent-7a,16b,17-Trihydroxykarrrane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2)7-4-8-18(3)14-6-5-13-10-19(14,11-20(13,23)12-21)16(22)9-15(17)18/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19-,20+/m1/s1
InChIKey: InChIKey=PVLZQLBPEVSLOY-XKBPDVHJSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez, P., Guillermo, R., Hanson, J.R., Hernandez, M.G., Takahashi, J.A. Phytochemistry (1994) 37, 717-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.8 |
| 4 (C) | 32.4 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 27.6 |
| 7 (CH) | 75.2 |
| 8 (C) | 48.2 |
| 9 (CH) | 50.6 |
| 10 (C) | 38.6 |
| 11 (CH2) | 17.5 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 44.6 |
| 14 (CH2) | 35.8 |
| 15 (CH2) | 49.3 |
| 16 (C) | 80.3 |
| 17 (CH2) | 65.2 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 17.4 |
